N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

C20H22N2O4 — CID 121389343

IUPACN-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3ccc4c(c3)C(O)CCO4)cncc21
InChIInChI=1S/C20H22N2O4/c1-2-20(24)22-17-11-25-10-16-14(8-21-9-15(16)17)12-3-4-19-13(7-12)18(23)5-6-26-19/h3-4,7-9,17-18,23H,2,5-6,10-11H2,1H3,(H,22,24)
InChIKeyDWOZRBBKBAHIOI-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.66
Rot. Bonds3

About N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (PubChem CID 121389343) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.

Molecular Properties

Compound NameN-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
PubChem CID121389343
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3ccc4c(c3)C(O)CCO4)cncc21
InChIInChI=1S/C20H22N2O4/c1-2-20(24)22-17-11-25-10-16-14(8-21-9-15(16)17)12-3-4-19-13(7-12)18(23)5-6-26-19/h3-4,7-9,17-18,23H,2,5-6,10-11H2,1H3,(H,22,24)
InChIKeyDWOZRBBKBAHIOI-UHFFFAOYSA-N
XLogP2.66
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-(3-prop-2-enylphenyl)butan-2-yl]hex-5-enamide
CID 73345995
N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-phenylbutan-2-yl]acetamide
CID 68691806
N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]acetamide
CID 68695405
N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-(4-fluoro-3-methylphenyl)-3-hydroxybutan-2-yl]acetamide
CID 68695669
N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-yl]acetamide
CID 68695878
N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 71460183
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 71451796
N-[(2S,3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 71455687
N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 71457116
N-[8-(4,4-Difluoro-chroman-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]-propionamide, Enantiomer II
CID 121389354
US10494376, Example 26
CID 118929979
8-(4-Hydroxy-chroman-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Stereoisomer I
CID 121389346

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The IUPAC name of N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (CID 121389343) is N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.
What is the SMILES notation for N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The canonical SMILES for N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is CCC(=O)NC1COCc2c(-c3ccc4c(c3)C(O)CCO4)cncc21.
What is the InChIKey of N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The InChIKey is DWOZRBBKBAHIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-20(24)22-17-11-25-10-16-14(8-21-9-15(16)17)12-3-4-19-13(7-12)18(23)5-6-26-19/h3-4,7-9,17-18,23H,2,5-6,10-11H2,1H3,(H,22,24).
What are the key properties of N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is sourced from PubChem (CID 121389343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).